Geometry & MOs

Info

ID:	166046
PubChem CID:	74630086
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	387.1644
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	7.45
IP(EA), eV:	-8.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C=CC(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

DOS

IR

Vibrations